Found 380 results
2021
N. Kassem, Galantino, C. R., Tester, J. W., C. Anderson, L., and Moore, M. C., “Moving toward a framework for electricity and heat equivalence in energy systems analysis”, iScience, vol. 24, p. 103123, 2021.
A. Bhosekar, Athaley, A., and Ierapetritou, M., “Multiobjective Modular Biorefinery Configuration under Uncertainty”, Industrial & Engineering Chemistry Research, vol. 60, pp. 12956-12969, 2021.
C. Mevawala, Bai, X., Kotamreddy, G., Bhattacharyya, D., and Hu, J., “Multiscale Modeling of a Direct Nonoxidative Methane Dehydroaromatization Reactor with a Validated Model for Catalyst Deactivation”, Industrial & Engineering Chemistry Research, vol. 60, pp. 4903-4918, 2021.
Y. Hao and Chen, C. - C., “Nonrandom two-liquid activity coefficient model with association theory”, AIChE Journal, vol. 67, p. e17061, 2021.
J. K. Lindstrom, Brown, J. L., Peterson, C. A., Ghosh, A., Rollag, S. A., Kouris, P. D., Boot, M. D., Hensen, E. J. M., Gable, P., Smith, R. G., and Brown, R. C., “A novel semi-batch autoclave reactor to overcome thermal dwell time in solvent liquefaction experiments”, Chemical Engineering Journal, vol. 417, p. 128074, 2021.
B. Williams and Cremaschi, S., “Novel Tool for Selecting Surrogate Modeling Techniques for Surface Approximation”, 31 European Symposium on Computer Aided Process Engineering, vol. 50, pp. 451-456, 2021.
E. N. Pistikopoulos, Tian, Y., and Bindlish, R., “Operability and control in process intensification and modular design: Challenges and opportunities”, AIChE Journal, vol. 67, p. e17204, 2021.
C. Ekici, Biegler, L. T., Ho, C., DeWilde, J. F., Kipp, D., and Witt, P., “Optimization of Syngas to Olefin (STO) Reactors”, in 31st European Symposium on Computer Aided Process Engineering, 2021, vol. 50, pp. 115-121.
C. Ekici, Kipp, D., Ho, C. R., Biegler, L. T., and Witt, P. M., “Prediction of the Thermal Runaway Limit and Optimal Operation of Heat Transfer-Limited, Fixed-Bed Reactor Systems”, Industrial & Engineering Chemistry Research, vol. 60, pp. 15087-15094, 2021.
S. J. Kurdziel, Lansford, J. L., and Vlachos, D. G., “Prediction of Transition-State Scaling Relationships and Universal Transition-State Vibrational and Entropic Correlations for Dehydrogenations”, The Journal of Physical Chemistry, vol. 125, pp. 19780-19790, 2021.
Y. Tian and Pistikopoulos, E. N., “A process intensification synthesis framework for the design of extractive separation systems with material selection”, Journal of Advanced Manufacturing and Processing, vol. 3, 2021.
C. S. Adjiman, Sahinidis, N. V., Vlachos, D. G., Bakshi, B., Maravelias, C. T., and Georgakis, C., “Process Systems Engineering Perspective on the Design of Materials and Molecules”, Industrial & Engineering Chemistry Research, vol. 60, pp. 5194-5206, 2021.
J. Park, Yoon, H. Wook, Nassr, M., Hill, M. R., Paul, D. R., and Freeman, B. D., “Pure- and mixed-gas transport properties of a microporous Tröger's Base polymer (PIM-EA-TB)”, Polymer, vol. 236, p. 124295, 2021.
Y. Wang, Kalscheur, J., Su, Y. - Q., Hensen, E. J. M., and Vlachos, D. G., “Real-time dynamics and structures of supported subnanometer catalysts via multiscale simulations”, Nature Communications, vol. 12, 2021.
H. Bhattacharjee, Anesiadis, N., and Vlachos, D. G., “Regularized Machine Learning on Molecular Graph Model Explains Systematic Error in DFT Enthalpies”, Scientific Reports 2021 11:1, vol. 11, pp. 1-10, 2021.
M. J. Palys, Mitrai, I., and Daoutidis, P., “Renewable hydrogen and ammonia for combined heat and power systems in remote locations: Optimal design and scheduling”, Optimal Control Applications and Methods, vol. 4, pp. 719-738, 2021.
V. K. V. Doddapaneni, Lee, K., Colbert, T. T., Mirzababaei, S., Paul, B. K., Pasebani, S., and Chang, C. - H., “A Scalable Solution Route to Porous Networks of Nanostructured Black Tungsten”, Nanomaterials, vol. 11, 2021.
J. L. Lansford, Kurdziel, S. J., and Vlachos, D. G., “Scaling of Transition State Vibrational Frequencies and Application of d-Band Theory to the Brønsted-Evans-Polanyi Relationship on Surfaces”, Journal of Physical Chemistry C, vol. 125, pp. 7119-7129, 2021.
B. Williams and Cremaschi, S., “Selection of surrogate modeling techniques for surface approximation and surrogate-based optimization”, Chemical Engineering Research and Design, vol. 170, pp. 76-89, 2021.
R. B. Dudek and Li, F., “Selective hydrogen combustion as an effective approach for intensified chemical production via the chemical looping strategy”, Fuel Processing Technology, vol. 218, p. 106827, 2021.
F. Yang, Wang, B., Baimoldina, A., Song, Y., Altemose, P., Kowall, C., and Li, L., “Separating a multicomponent and multiphase liquid mixture with a 3D-printed membrane device”, RSC Advances, vol. 11, pp. 40033-40039, 2021.
M. D. Sees, Kirkes, T., and Chen, C. Chyun, “A simple and practical process modeling methodology for pressure swing adsorption”, Computers and Chemical Engineering, vol. 147, p. 107235, 2021.
Y. Tian, Pappas, I., Burnak, B., Katz, J., and Pistikopoulos, E. N., “Simultaneous design & control of a reactive distillation system – A parametric optimization & control approach”, Chemical Engineering Science, vol. 230, p. 116232, 2021.
J. T. O'Connor, Kowall, C., Haapala, K., Agrawal, N., and Paul, B., “Specialty Chemicals Production Case Study: Economic Analysis of Modular Chemical Process Intensification vs. Conventional Stick-Built Approaches”, Journal of Advanced Manufacturing and Processing, vol. 3, 2021.
M. Sadaf Monjur, Demirel, S. Emre, Li, J., and Hasan, M. M. Faruque, “SPICE_MARS: A Process Synthesis Framework for Membrane-Assisted Reactive Separations”, Industrial & Engineering Chemistry Research, vol. 60, pp. 7635-7655, 2021.
W. Chen, Malhotra, A., Yu, K., Zheng, W., Plaza-Gonzalez, P. J., Catala-Civera, J. M., Santamaria, J., and Vlachos, D. G., “A Stable and Intensified microwave-assisted heterogeneous catalytic reactors for sustainable chemical manufacturing”, Chemical Engineering Journal, vol. 420, p. 130476, 2021.
A. Hussain Motagamwala, Almallahi, R., Wortman, J., Igenegbai, V. Omoze, and Linic, S., “Stable and selective catalysts for propane dehydrogenation operating at thermodynamic limit”, Science, vol. 373, pp. 217-222, 2021.
L. Yan, Witt, P. M., Edgar, T. F., and Baldea, M., “Static and Dynamic Intensification of Water–Ethylene Glycol Separation Using a Dividing Wall Column”, Industrial and Engineering Chemistry Research, vol. 60, pp. 3027-3037, 2021.
D. Shade, Marszalek, B., and Walton, K. S., “Structural similarity, synthesis, and adsorption properties of aluminum-based metal-organic frameworks”, Adsorption, vol. 27, pp. 227-236, 2021.
A. Athaley, Zhang, Y., Papoutsakis, E. T., and Ierapetritou, M., “Techno-economic and Life Cycle Analysis of MixAlco® Processes for Mixed Alcohol Production from Brown Algae”, Applied Biochemistry and Biotechnology, vol. 193, pp. 2964-2982, 2021.
A. Malhotra, Chen, W., Goyal, H., Plaza-Gonzalez, P. J., Julian, I., Catala-Civera, J. M., and Vlachos, D. G., “Temperature Homogeneity under Selective and Localized Microwave Heating in Structured Flow Reactors”, Industrial and Engineering Chemistry Research, vol. 60, pp. 6835-6847, 2021.
M. Ghayoor, Mirzababaei, S., Sittiho, A., Charit, I., Paul, B. K., and Pasebani, S., “Thermal stability of additively manufactured austenitic 304L alloy”, Journal of Materials Science & Technology, vol. 83, pp. 208-218, 2021.
T. E. Kirkes, Saravi, S. H., and Chen, C. - C., “Thermodynamic Modeling of Aqueous LiCl, LiBr, LiI, and LiNO3 Solutions”, Fluid Phase Equilibria, vol. 531, p. 112914, 2021.
G. N. Jovanovic, Coblyn, M. Y., and Plazl, I., “Time scale analysis & characteristic times in microscale-based bio-chemical processes: Part II – Bioreactors with immobilized cells, and process flowsheet analysis”, Chemical Engineering Science, vol. 236, p. 116499, 2021.
G. N. Jovanovic, Coblyn, M. Y., and Plazl, I., “Time scale analysis & characteristic times in microscale-based chemical and biochemical processes: Part I – Concepts and origins”, Chemical Engineering Science, vol. 238, p. 116502, 2021.
S. Vedant, Atencio, M. R., Tian, Y., Meduri, V., and Pistikopoulos, E. N., “Towards a Software Prototype for Synthesis of Operable Process Intensification Systems”, in 31st European Symposium on Computer Aided Process Engineering (ESCAPE-31), 2021, vol. 50, pp. 767-772.
W. Bradley and Boukouvala, F., “Two-stage Approach to Parameter Estimation of Differential Equations using Neural ODEs”, Industrial & Engineering Chemistry Research, vol. 60, pp. 16330-16344, 2021.
H. Naidu, Liu, J., Kahraman, O., and Feng, H., “Ultrasound-Assisted Nonthermal, Nonequilibrium Separation of Organic Molecules from Their Binary Aqueous Solutions: Effect of Solute Properties on Separation”, ACS Sustainable Chemistry & Engineering, vol. 9, pp. 16506-16518, 2021.
G. R. Wittreich, Gu, G. Ho, Robinson, D. J., Katsoulakis, M. A., and Vlachos, D. G., “Uncertainty Quantification and Error Propagation in the Enthalpy and Entropy of Surface Reactions Arising from a Single DFT Functional”, The Journal of Physical Chemistry C, vol. 125, pp. 18187-18196, 2021.
Y. Yuan, Brady, C., Lobo, R. F., and Xu, B., “Understanding the Correlation between Ga Speciation and Propane Dehydrogenation Activity on Ga/H-ZSM-5 Catalysts”, ACS Catalysis, vol. 11, pp. 10647-10659, 2021.
2020
A. Dong, Nastac, L., and Reddy, R., “A 3-D Numerical Model to Predict Low Temperature Aluminum Electrochemical Process Using Ionic Liquids as Electrolytes at Different Boundary Conditions”, in TMS 2020 149th Annual Meeting & Exhibition Supplemental Proceedings, 2020, pp. 1249–1260.
Y. Song, Wang, B., Altemose, P., Kowall, C., and Li, L., “3D-Printed Membranes with a Zwitterionic Hydrogel Coating for More Robust Oil-Water Separation”, Industrial and Engineering Chemistry Research, vol. 59, pp. 21058-21065, 2020.
B. Wang, Chen, J., Kowall, C., and Li, L., “3D-Printed Repeating Re-Entrant Topography to Achieve On-Demand Wettability and Separation”, ACS Applied Materials and Interfaces, vol. 12, pp. 35725-35730, 2020.
B. Robinson, Caiola, A., Bai, X., Abdelsayed, V., Shekhawat, D., and Hu, J., “Catalytic direct conversion of ethane to value-added chemicals under microwave irradiation”, Catalysis Today, vol. 356, pp. 3-10, 2020.
X. Zhu, Imtiaz, Q., Donat, F., Müller, C. R., and Li, F., “Chemical looping beyond combustion - a perspective”, Energy and Environmental Science, vol. 13, pp. 772-804, 2020.
S. Avraamidou, Baratsas, S. G., Tian, Y., and Pistikopoulos, E. N., “Circular Economy - A challenge and an opportunity for Process Systems Engineering”, Computers & Chemical Engineering, vol. 133, p. 106629, 2020.
N. Kassem, Sills, D., Posmanik, R., Blair, C., and Tester, J. W., “Combining anaerobic digestion and hydrothermal liquefaction in the conversion of dairy waste into energy: A techno economic model for New York state”, Waste Management, vol. 103, pp. 228-239, 2020.
S. Tanveer and Chen, C. - C., “A comprehensive thermodynamic model for high salinity produced waters”, AIChE Journal, vol. 66, p. e16818, 2020.
P. Shinde, Ahmed, A. N., Nahian, M. K., Peng, Y., and Reddy, R. G., “Conductivity of 1-Ethyl-3-Methylimidazolium Chloride (EMIC) and Aluminum Chloride (AlCl3) Ionic Liquids at Different Temperatures and AlCl3 Mole Fractions”, ECS Transactions, vol. 98, p. 129, 2020.
S. Hye Kim, Landa, H. Octavio Ru, Ravutla, S., Realff, M. J., and Boukouvala, F., “Data-Driven Simultaneous Process Optimization and Adsorbent Selection for Modular Vacuum Pressure Swing Adsorption”, AIChE Journal, vol. 188, pp. 1013-1028, 2020.